SCHEMBL4445488

SCHEMBL4445488

CCCCCCCC(I)OC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
KMT2A Q03164 3/20 0.35
MAOB P27338 3/20 0.34
MEN1 O00255 2/20 0.34
MAOA P21397 2/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
ACHE P22303 1/20 0.33
F2R P25116 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL769424 0.90 ALDH1A1 (0.37) GAAKMT2AMAOBMEN1MAOA
SCHEMBL7744480 0.89 MAOB (0.36) GAAKMT2AMAOBMEN1MAOA
SCHEMBL7162789 0.85 GAA (0.35) GAAKMT2AMAOBMEN1MAOA
SCHEMBL2491248 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA
SCHEMBL5630244 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA
SCHEMBL23533531 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA
SCHEMBL29145739 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA
SCHEMBL29397430 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA
SCHEMBL9871733 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA
SCHEMBL9229225 0.85 CNR2 (0.41) GAAKMT2AMAOBMEN1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
US-6726997-B2 WWATERPROOF, HARDNESS, RATION TRANSPARENT; PROTECTIVE COATINGS JSR CORPORATION (JP) 2004-04-27 US disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed
EP-0763582-A1 WATER-BASED COATING RESIN COMPOSITION AND PROCESS FOR FORMING COATING FILM EXCELLENT IN STAIN RESISTANCE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-03-19 EP disclosed